4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

C23H18FN3O2 — CID 144996796

IUPAC4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2cc(C)c(CO)c(F)c2)n2cncc12
InChIInChI=1S/C23H18FN3O2/c1-14-7-17(8-20(24)19(14)12-28)23-18(16-5-3-15(10-25)4-6-16)9-22(29-2)21-11-26-13-27(21)23/h3-9,11,13,28H,12H2,1-2H3
InChIKeyYBCXAQSYNACEAU-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.49
Rot. Bonds4

About 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 144996796) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID144996796
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2cc(C)c(CO)c(F)c2)n2cncc12
InChIInChI=1S/C23H18FN3O2/c1-14-7-17(8-20(24)19(14)12-28)23-18(16-5-3-15(10-25)4-6-16)9-22(29-2)21-11-26-13-27(21)23/h3-9,11,13,28H,12H2,1-2H3
InChIKeyYBCXAQSYNACEAU-UHFFFAOYSA-N
XLogP4.49
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile with MolForge

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Related Compounds

6-(((1-(4-cyanobenzyl)-1H-imidazol-5-yl)methoxy)methyl)-4''-(trifluoromethoxy)biphenyl-3-carbonitrile
CID 10390776
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(4-trifluoromethoxy-phenyl)-pyridine-2-carbonitrile
CID 44286376
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(3-trifluoromethoxy-phenyl)-pyridine-2-carbonitrile
CID 44286420
5-[[4-Cyano-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile
CID 44286656
5-[[4-Cyano-2-[3-(trifluoromethoxy)phenyl]phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile
CID 44286801
4-[[3-[(4-Cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]-3-(3-methoxyphenyl)benzonitrile
CID 44394940
4-[3-[3-[(4-Cyanophenyl)methyl]imidazol-4-yl]-3-hydroxyprop-1-ynyl]-3-(3-ethoxyphenyl)benzonitrile
CID 44394988
6-(((1-(4-cyanobenzyl)-1H-imidazol-5-yl)methoxy)methyl)-3''-(trifluoromethoxy)biphenyl-3-carbonitrile
CID 44394995
5-((5-(((5-cyano-3''-ethoxybiphenyl-2-yl)methoxy)methyl)-1H-imidazol-1-yl)methyl)picolinonitrile
CID 44395111
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
2,3-Dimethyl-8-(2,6-dimethylbenzyloxy)imidazo[1,2-a]pyridine
CID 21717336
US10851102, Example 47
CID 154605070

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 144996796) is 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1cc(-c2ccc(C#N)cc2)c(-c2cc(C)c(CO)c(F)c2)n2cncc12.
What is the InChIKey of 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is YBCXAQSYNACEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-7-17(8-20(24)19(14)12-28)23-18(16-5-3-15(10-25)4-6-16)9-22(29-2)21-11-26-13-27(21)23/h3-9,11,13,28H,12H2,1-2H3.
What are the key properties of 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 387.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 144996796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).